COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.606   5.476  -0.720  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.256   4.179  -0.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.273   3.020  -0.405  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.880   1.809   0.050  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.136   0.678  -0.034  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.539   0.612  -0.631  1.00  0.00           S  
HETATM    7  C   UNL     1      -3.556  -0.543   0.350  1.00  0.00           C  
HETATM    8 BR   UNL     1      -5.278  -0.845   1.071  1.00  0.00          Br  
HETATM    9  C   UNL     1      -2.641  -1.551   0.179  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.914  -2.987   0.544  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.456  -1.122  -0.355  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.336  -1.946  -0.636  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.329  -3.109  -0.274  1.00  0.00           O  
HETATM   14  N   UNL     1       0.721  -1.442  -1.304  1.00  0.00           N  
HETATM   15  C   UNL     1       0.932  -0.050  -1.770  1.00  0.00           C  
HETATM   16  C   UNL     1       2.006   0.576  -0.866  1.00  0.00           C  
HETATM   17  C   UNL     1       1.538  -0.210  -3.184  1.00  0.00           C  
HETATM   18  C   UNL     1       2.211  -1.599  -3.168  1.00  0.00           C  
HETATM   19  C   UNL     1       1.951  -2.146  -1.741  1.00  0.00           C  
HETATM   20  C   UNL     1       3.096  -1.669  -0.835  1.00  0.00           C  
HETATM   21  C   UNL     1       3.323  -0.180  -1.064  1.00  0.00           C  
HETATM   22  C   UNL     1       4.344   0.325  -0.077  1.00  0.00           C  
HETATM   23  C   UNL     1       4.105   0.221   1.280  1.00  0.00           C  
HETATM   24  C   UNL     1       5.524   0.889  -0.530  1.00  0.00           C  
HETATM   25  F   UNL     1       5.761   0.988  -1.857  1.00  0.00           F  
HETATM   26  C   UNL     1       6.462   1.353   0.377  1.00  0.00           C  
HETATM   27  C   UNL     1       6.219   1.252   1.734  1.00  0.00           C  
HETATM   28  C   UNL     1       5.041   0.684   2.185  1.00  0.00           C  
HETATM   29  C   UNL     1       4.779   0.571   3.665  1.00  0.00           C  
HETATM   30  N   UNL     1       5.299  -0.712   4.157  1.00  0.00           N  
HETATM   31  H   UNL     1      -2.707   5.673  -0.136  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.341   5.376  -1.773  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.307   6.301  -0.599  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.522   4.278   0.819  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.155   3.982  -0.818  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.007   2.921  -1.457  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.374   3.217   0.180  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.345  -3.504  -0.313  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.980  -3.473   0.829  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.612  -3.023   1.380  1.00  0.00           H  
HETATM   41  H   UNL     1       0.007   0.525  -1.782  1.00  0.00           H  
HETATM   42  H   UNL     1       2.142   1.624  -1.133  1.00  0.00           H  
HETATM   43  H   UNL     1       1.694   0.501   0.176  1.00  0.00           H  
HETATM   44  H   UNL     1       0.754  -0.177  -3.939  1.00  0.00           H  
HETATM   45  H   UNL     1       2.279   0.568  -3.369  1.00  0.00           H  
HETATM   46  H   UNL     1       1.757  -2.249  -3.916  1.00  0.00           H  
HETATM   47  H   UNL     1       3.282  -1.504  -3.348  1.00  0.00           H  
HETATM   48  H   UNL     1       1.831  -3.230  -1.730  1.00  0.00           H  
HETATM   49  H   UNL     1       2.833  -1.844   0.208  1.00  0.00           H  
HETATM   50  H   UNL     1       4.007  -2.217  -1.079  1.00  0.00           H  
HETATM   51  H   UNL     1       3.687  -0.015  -2.078  1.00  0.00           H  
HETATM   52  H   UNL     1       3.186  -0.223   1.633  1.00  0.00           H  
HETATM   53  H   UNL     1       7.384   1.792   0.025  1.00  0.00           H  
HETATM   54  H   UNL     1       6.950   1.613   2.442  1.00  0.00           H  
HETATM   55  H   UNL     1       5.277   1.388   4.186  1.00  0.00           H  
HETATM   56  H   UNL     1       3.706   0.622   3.848  1.00  0.00           H  
HETATM   57  H   UNL     1       6.279  -0.812   3.941  1.00  0.00           H  
HETATM   58  H   UNL     1       5.135  -0.812   5.148  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5                                                 
CONECT    5    6    4    7    7                                       
CONECT    6   11    5                                                 
CONECT    7    5    5    9    8                                       
CONECT    8    7                                                      
CONECT    9   11   11    7   10                                       
CONECT   10    9   38   39   40                                       
CONECT   11    6   12    9    9                                       
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   19                                            
CONECT   15   16   14   17   41                                       
CONECT   16   15   21   42   43                                       
CONECT   17   15   18   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   14   20   18   48                                       
CONECT   20   21   19   49   50                                       
CONECT   21   16   22   20   51                                       
CONECT   22   23   21   24   24                                       
CONECT   23   28   28   22   52                                       
CONECT   24   22   22   26   25                                       
CONECT   25   24                                                      
CONECT   26   27   27   24   53                                       
CONECT   27   28   26   26   54                                       
CONECT   28   29   23   23   27                                       
CONECT   29   30   28   55   56                                       
CONECT   30   29   57   58                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
